SCHEMBL12059591

SCHEMBL12059591

O=c1c2ccc(-c3ccc(C(F)(F)F)cc3)cc2nc2n1CCC1(CC2)OCCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SCN9A Q15858 2/20 0.37
HSD17B10 Q99714 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
BCHE P06276 1/20 0.36
CFTR P13569 1/20 0.36
ALOX15 P16050 1/20 0.36
ACHE P22303 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
GOPC Q9HD26 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC6 Q9UBN7 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12059375 0.91 KDM4E (0.41) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL12059786 0.89 ALDH1A1 (0.42) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL12059556 0.89 RAB9A (0.43) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL12059604 0.88 ALDH1A1 (0.46) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL12041578 0.87 MEN1 (0.37) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL12059383 0.87 SMN1; SMN2 (0.45) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL12059371 0.87 ALDH1A1 (0.47) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL12059060 0.86 ALDH1A1 (0.40) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL12059791 0.85 ALDH1A1 (0.39) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL12059053 0.84 ALDH1A1 (0.37) MEN1KMT2AKDM4EALDH1A1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 MEN1 3947/4885KMT2A 944/4885KDM4E 2003/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.